@<TRIPOS>MOLECULE
101323793
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.3947     3.4409    -0.2083	S	1	noname	-0.0470
2	O1     1.9891     4.5732    -1.3955	O.3	1	noname	-0.1485
3	O2     3.2984     4.1357     0.9002	O.2	1	noname	-0.1686
4	O3     3.1996     2.2415    -0.8728	O.2	1	noname	-0.1686
5	C1    -1.3691     1.8504     1.7006	C.2	1	noname	-0.0135
6	C2    -0.7433     2.9737     2.2285	C.2	1	noname	-0.0339
7	C3     0.9510     2.8308     0.5240	C.2	1	noname	0.0204
8	C4     0.3252     1.7074    -0.0039	C.2	1	noname	0.0286
9	C5     0.4167     3.4639     1.6401	C.2	1	noname	0.0315
10	C6    -0.8349     1.2172     0.5844	C.2	1	noname	-0.0283
11	C7    -2.5291     1.3601     2.2890	C.2	1	noname	-0.0464
12	C8    -1.2775     3.6068     3.3447	C.2	1	noname	-0.0482
13	C9    -3.0633     1.9933     3.4052	C.2	1	noname	-0.0539
14	C10    -2.4375     3.1166     3.9330	C.2	1	noname	-0.0618
15	C11     0.8863     1.0424    -1.1763	C.3	1	noname	0.0170
16	C12    -4.2818     1.4784     4.0231	C.3	1	noname	-0.0017
17	H1     0.8759     4.2882     2.0275	H	1	noname	0.0646
18	H2    -1.2941     0.3929     0.1971	H	1	noname	0.0632
19	H3    -2.9883     0.5358     1.9016	H	1	noname	0.0631
20	H4    -0.8183     4.4311     3.7320	H	1	noname	0.0629
21	H5    -2.8296     3.5812     4.7521	H	1	noname	0.0625
22	H6     0.1557     1.0541    -1.9851	H	1	noname	0.0280
23	H7     1.1340     0.0111    -0.9252	H	1	noname	0.0280
24	H8     1.7882     1.5657    -1.4939	H	1	noname	0.0280
25	H9    -5.0937     1.4969     3.2961	H	1	noname	0.0279
26	H10    -4.5459     2.1000     4.8787	H	1	noname	0.0279
27	H11    -4.1154     0.4539     4.3560	H	1	noname	0.0279
28	H12     2.8068     4.9741    -1.7575	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	28	1
6	5	6	1
7	5	10	2
8	5	11	1
9	6	9	2
10	6	12	1
11	7	8	2
12	7	9	1
13	8	10	1
14	8	15	1
15	9	17	1
16	10	18	1
17	11	13	2
18	11	19	1
19	12	14	2
20	12	20	1
21	13	14	1
22	13	16	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
27	16	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1